4-(1,3-dithiolan-2-yl)-N-methoxybenzamide

C11H13NO2S2 — CID 27745104

IUPAC4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C11H13NO2S2/c1-14-12-10(13)8-2-4-9(5-3-8)11-15-6-7-16-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyGEYJYDQYSBCOHS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.46
Rot. Bonds3

About 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide

4-(1,3-dithiolan-2-yl)-N-methoxybenzamide (PubChem CID 27745104) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
PubChem CID27745104
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC Name4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
SMILESCONC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C11H13NO2S2/c1-14-12-10(13)8-2-4-9(5-3-8)11-15-6-7-16-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyGEYJYDQYSBCOHS-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dithiolan-2-yl)-N-(2-methoxyethyl)benzamide
CID 18161968
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 40599544
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
N-(dicyclopropylmethyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 36573754
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
[2-(2-methoxyethylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8595187
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 26904071
2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-2-methylbutanoic acid
CID 119199136

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide (CID 27745104) is 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide is CONC(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide?
The InChIKey is GEYJYDQYSBCOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-14-12-10(13)8-2-4-9(5-3-8)11-15-6-7-16-11/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide?
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide has a molecular weight of 255.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-methoxybenzamide is sourced from PubChem (CID 27745104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).